Related papers: Structural phases of strained LaAlO3 driven by oct…
Recently, it was established that a two-dimensional electron system can arise at the interface between two oxide insulators LaAlO3 and SrTiO3. This paradigmatic example exhibits metallic behaviour and magnetic properties between…
The tetragonal states produced by isotropic pseudomorphic epitaxial strain in the (001) plane on a tetragonal phase of a crystal are calculated for V, Ti, Rb, Li, K, Sr from first-principles electronic theory. It is shown that each metal…
139La NMR and relaxation measurements have been performed on La{1.8-x}Eu{0.2}Sr{x}CuO{4} (x = 0.13 and 0.2) single crystals. The temperature dependence of the 139La NMR spectra in all the structural phases (HTT -> LTO -> LTT) reveals the…
Strain control is one of the most promising avenues to search for new emergent phenomena in transition-metal-oxide films. Here, we investigate the strain-induced changes of electronic structures in strongly correlated LaNiO3 (LNO) films,…
The structure and microstrucutre of fully-strained BiCrO3 thin films have been investigated by X-rays diffraction and transmission electron microscopy, at room temperature. Interestingly, three structural variants are simultaneously…
Crystal and magnetic structures of the high-pressure stabilized perovskite phase of TlMnO3 have been studied by neutron powder diffraction. The crystal structure involves two types of primary structural distortions: a+b-b-octahedral tilting…
We investigate the impact of uniaxial strain on atomic shifts, dipolar interactions, polarization and electric permittivity in TiO$_2$ (rutile) by using two different implementations of density functional theory. It is shown that…
(Li,Al)-co-doped magnesium spinel (Li$_x$Mg$_{1-2x}$Al$_{2+x}$O$_4$) is a solid lithium-ion electrolyte with potential use in all-solid-state lithium-ion batteries. Interfaces with spinel electrodes, such as Li$_y$Mn$_2$O$_4$ and…
The electronic structure of interfaces between LaAlO$_3$ and SrTiO$_3$ is studied using local spin density approximation (LSDA) with intra-atomic Coulomb repulsion (LSDA+U). We find that the nature of the interface metallic states is…
We study the modification of the electronic structure in the strong spin-orbit coupled Sr$_2$IrO$_4$ by epitaxial strain using density functional methods. Structural optimization shows that strain changes the internal structural parameters…
We investigate the mechanism of the resonant X-ray scattering on the Ti $K$ edge region of YTiO$_3$ using the band structure calculation combined with the local density approximation. A large intensity is obtained for the orbital…
We report a single crystal neutron and x-ray diffraction study of the hybrid improper multiferroic Ca3Mn1.9Ti0.1O7 (CMTO), a prototypical system where the electric polarization arises from the condensation of two lattice distortion…
We present a study of the lattice response to the compressive and tensile biaxial stress in La0.67Sr0.33MnO3 (LSMO) and SrRuO3 (SRO) thin films grown on a variety of single crystal substrates: SrTiO3, DyScO3, NdGaO3 and (La,Sr)(Al,Ta)O3.…
We model short-period superlattices of WO$_3$ and ReO$_3$ with first-principles calculations. In fully-relaxed superlattices, we observe that octahedral tilts about an axis in the planes of the superlattices do not propagate from one…
The discovery of high-temperature superconductivity in bulk La$_3$Ni$_2$O$_7$ under high hydrostatic pressure and, more recently, biaxial compression in epitaxial thin films has ignited significant interest in understanding the interplay…
Polar crystals composed of charged ionic planes cannot exist in nature without acquiring surface changes to balance an ever-growing dipole. The necessary changes can manifest structurally or electronically. An electronic asymetry has long…
We systematically investigate the effect of strain and doping on the polar metal phase in lithium osmate, LiOsO$_3$, using first-principles calculations. We demonstrate that the polar metal phase in LiOsO$_3$ can be controlled by biaxial…
Using configuration-state-constrained electronic structure calculations based on the generalized gradient approximation plus Hubbard U method, we sought the origin of the giant tetragonal ferroelectric distortion in the ambient phase of the…
Epitaxial strain can be used to modify the properties of ferroelectric thin films. From the experimental viewpoint, the challenge is to fine-tune the magnitude of the strain. We illustrate how, by using a suitable combination of composition…
The effect of rare-earth ion size on the octahedral distortions in rare-earth chromites (RCrO3, R = Lu, Tb, Gd, Eu, Sm) crystallizing in the orthorhombic structure has been studied using Raman scattering and synchrotron powder x-ray…